%chk=000203015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203015

0 1
N -2.816899 0.567193 0.133193
C -0.354648 0.702230 0.105524
C 0.971893 0.188725 0.701039
C -1.570258 0.047607 0.785027
C -3.943801 -0.416736 0.246665
C -3.203953 1.906084 0.689035
C 1.172186 -1.284213 0.395653
C 2.174900 0.981881 0.224833
C -3.732641 -1.546111 -0.777704
C -4.070654 2.647285 -0.345140
C 1.098549 -2.223105 1.436055
C 3.287804 1.089073 1.076585
C 1.419839 -1.724368 -0.913417
C 2.215585 1.596851 -1.034336
C -4.890094 -2.539406 -0.754765
C -4.433151 4.048478 0.136708
C 1.269150 -3.584345 1.167939
C 4.417168 1.805501 0.675381
C 1.589660 -3.085617 -1.176745
C 3.347737 2.315156 -1.431642
C 1.513986 -4.019238 -0.137812
C 4.449973 2.422893 -0.579558
H -0.401877 0.503748 -0.984324
H -0.406460 1.804047 0.209353
H 0.904102 0.320280 1.815716
H -1.515629 -1.056379 0.640488
H -1.547249 0.220427 1.880981
H -4.898209 0.108351 0.018833
H -4.053063 -0.836254 1.268542
H -2.280751 2.496682 0.879653
H -3.736371 1.835730 1.660567
H -2.776100 -2.069169 -0.576943
H -3.620001 -1.106751 -1.789462
H -4.989766 2.066549 -0.558069
H -3.525772 2.698951 -1.309537
H 0.910016 -1.896147 2.456130
H 3.275319 0.605518 2.051602
H 1.486187 -1.001831 -1.725522
H 1.366829 1.520434 -1.712145
H -4.732419 -3.342090 -1.484577
H -5.843018 -2.057842 -1.001697
H -5.002958 -3.009935 0.228284
H -4.998141 4.022918 1.075116
H -3.541132 4.662507 0.305773
H -5.051300 4.570511 -0.602893
H 1.211871 -4.307063 1.979869
H 5.275026 1.882266 1.341250
H 1.782994 -3.419966 -2.194679
H 3.368714 2.791107 -2.410624
H 1.646965 -5.078391 -0.345170
H 5.329462 2.981774 -0.890430


%chk=000203015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203015

0 1
N -2.853705 0.561538 0.138982
C -0.345842 0.708743 0.043011
C 0.998719 0.243108 0.671686
C -1.577726 0.065342 0.713756
C -3.936030 -0.457160 0.159172
C -3.272089 1.876070 0.690769
C 1.200272 -1.271133 0.486604
C 2.218723 1.030429 0.163293
C -3.791387 -1.510894 -0.960081
C -4.105510 2.713578 -0.303729
C 1.036369 -2.163577 1.575488
C 3.441445 0.937851 0.880582
C 1.526554 -1.808785 -0.785818
C 2.188893 1.832514 -1.005115
C -4.897768 -2.586475 -0.897255
C -4.555843 4.061247 0.300618
C 1.189952 -3.558950 1.402113
C 4.596045 1.624147 0.449766
C 1.677293 -3.200944 -0.964725
C 3.344848 2.521047 -1.443386
C 1.509071 -4.083233 0.129206
C 4.553087 2.420782 -0.719364
H -0.379620 0.459947 -1.034527
H -0.414614 1.811780 0.121557
H 0.924908 0.426260 1.764897
H -1.529785 -1.028240 0.566834
H -1.531476 0.235096 1.821277
H -4.903155 0.063435 0.024066
H -3.994719 -0.976236 1.150989
H -2.360173 2.449020 0.946747
H -3.845525 1.756859 1.646636
H -2.798952 -1.997902 -0.890779
H -3.814724 -0.987261 -1.934493
H -4.994888 2.136838 -0.625569
H -3.496121 2.879199 -1.212234
H 0.786811 -1.762871 2.566380
H 3.486164 0.313240 1.781861
H 1.679960 -1.130746 -1.633990
H 1.261892 1.931605 -1.579412
H -4.784899 -3.324451 -1.712115
H -5.903208 -2.133066 -0.990462
H -4.866382 -3.136891 0.062445
H -5.184407 3.906750 1.198397
H -3.685745 4.674655 0.603090
H -5.145028 4.649247 -0.426295
H 1.061474 -4.232906 2.256975
H 5.527362 1.538543 1.021405
H 1.932189 -3.598917 -1.953782
H 3.299052 3.136146 -2.349688
H 1.630002 -5.163614 -0.008904
H 5.447840 2.955036 -1.058277


